1-Iodo-3,5-dimethylbenzene

C₈H₉ICAS 22445-41-6232.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₉I
Molar mass: 232.06 g/mol
Exact mass: 231.9749 Da
logP: 2.91Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H335 May cause respiratory irritation96% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

22445-41-6

SMILES

CC1=CC(=CC(=C1)I)C

InChIKey

ZLMKEENUYIUKKC-UHFFFAOYSA-N

InChI

InChI=1S/C8H9I/c1-6-3-7(2)5-8(9)4-6/h3-5H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Iodo-3,5-dimethylbenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mesitylene108-67-860 % similar 3-Iodotoluene625-95-655 % similar 4-Iodotoluene624-31-750 % similar Iodomesitylene4028-63-148 % similar 4-Iodo-2,6-dimethylphenol10570-67-943 % similar 4-Iodo-2,6-dimethylbenzenamine4102-53-843 % similar 3,5-Dimethylphenol108-68-943 % similar 3,5-Xylidine108-69-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Iodo-1,4-dimethylbenzene1122-42-5 Phenethyl iodide17376-04-4 1-Ethyl-2-iodobenzene18282-40-1 1-Ethyl-4-iodobenzene25309-64-2 1-Iodo-2,3-dimethylbenzene31599-60-7 1-Iodo-3,4-dimethylbenzene31599-61-8 1-Iodo-2,4-dimethylbenzene4214-28-2 2-Iodo-1,3-dimethylbenzene608-28-6

Elsewhere

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